Cover Image

Quasiphase transition of a single-file water chain influenced by atomic charges in a water model using orientational-biased replica exchange Monte Carlo simulations

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Zhao, Liang, Ni, Junqing, Zhu, Zhi, Tu, Yusong, Wang, Chunlei
Format:	Preprint
Published:	2024
Subjects:	Soft Condensed Matter Mesoscale and Nanoscale Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Coagulation-flocculation process on a lattice: Monte Carlo simulations
by: Blavatska, V., et al.
Published: (2024)

Facile "Pick-up" experiments and Monte Carlo simulations for the entanglement of tunable staple-like particles
by: Sohn, Youhan, et al.
Published: (2024)

Monte Carlo simulation of selective adsorption in a binary hard-disk mixture on patterned adhesive surfaces
by: Kukarkin, Nazar, et al.
Published: (2026)

Solvent isotopic effect on the phase transition of lyotropic chromonic liquid crystals: Heavy water makes mesogens less charged
by: Cheon, Jiyong, et al.
Published: (2024)

Donnan equilibrium in charged slit-pores from a hybrid nonequilibrium Molecular Dynamics / Monte Carlo method with ions and solvent exchange
by: Kim, Jeongmin, et al.
Published: (2024)

Bipolar surface charging by evaporating water droplets
by: Singh, Nitish, et al.
Published: (2025)

Collapse of a single polymer chain: Effects of chain stiffness and attraction range
by: Zhu, Yanyan, et al.
Published: (2026)

Swap Monte Carlo for diatomic molecules
by: Böhmer, Till, et al.
Published: (2025)

NMR contributions to the study of water transfer in proton exchange membranes for fuel cells
by: Perrin, Jean-Christophe, et al.
Published: (2024)

Primitive chain network simulations of the creep of entangled polymers
by: Masubuchi, Yuichi, et al.
Published: (2025)

Conformational and static properties of tagged chains in solvents: effect of chain connectivity in solvent molecules
by: Li, Hong-Yao, et al.
Published: (2024)

Scaled charges for ions: an improvement but not the final word for modeling electrolytes in water
by: Blazquez, S., et al.
Published: (2025)

The explicit bonding Reaction ensemble Monte Carlo method
by: Blanco, Pablo M., et al.
Published: (2024)

Anomalous diffusion in polydisperse granular gases: Monte Carlo simulations
by: Bodrova, Anna S., et al.
Published: (2024)

Orientational properties of the HGO system in a slit geometry in two-dimensional and three-dimensional case from Monte Carlo simulations and Onsager theory revisited
by: Chrzanowska, Agnieszka
Published: (2024)

A single-chain nanoparticle-based mean-field theory for associative polymers
by: Cappa, Marco, et al.
Published: (2025)

Phantom chain simulations for the effect of stoichiometry on the fracture of star-polymer networks
by: Masubuchi, Yuichi
Published: (2023)

Harmonic chain far from equilibrium: single-file diffusion, long-range order, and hyperuniformity
by: Ikeda, Harukuni
Published: (2023)

Numerical study of neutral and charged microgel suspensions: from single-particle to collective behavior
by: Del Monte, Giovanni, et al.
Published: (2024)

The influence of dimensional crossover on phase transitions and critical phenomena in condensed systems
by: Chalyi, O. V., et al.
Published: (2025)

A bond swap algorithm for simulating dynamically crosslinked polymers
by: Rao, Peilin, et al.
Published: (2023)

Phantom chain simulations for fracture of star polymer networks with various strand densities
by: Masubuchi, Yuichi, et al.
Published: (2024)

The interplay between liquid-liquid and ferroelectric phase transitions in supercooled water
by: Izzo, Maria Grazia, et al.
Published: (2024)

Influence of transition mutations and disorder on charge localization and transfer along B-DNA sequences
by: Banev, Pavlos, et al.
Published: (2025)

Comparative molecular dynamics simulations of charged solid-liquid interfaces with different water models
by: Tavakol, Mahdi, et al.
Published: (2025)

Do chain topology and polydispersity affect the two-stage heteropolymer coil-globule transition?
by: Singh, Thoudam Vilip, et al.
Published: (2025)

Phantom chain simulations for fracture of star polymer networks on the effect of arm molecular weight
by: Masubuchi, Yuichi
Published: (2024)

Persistence length and plateau modulus of semiflexible entangled polymers in primitive chain network simulations
by: Masubuchi, Yuichi, et al.
Published: (2024)

Omnidirectionally manipulated skyrmions in an orientationally chiral system
by: Chen, Jiahao, et al.
Published: (2025)

Probing the nonequilibrium dynamics of stress, orientation and entanglements in polymer melts with orthogonal interrupted shear simulations
by: Cunha, Marco Aurelio Galvani, et al.
Published: (2021)

Translational diffusion in supercooled water at and near the glass transition temperature -- 136 K
by: Kimmel, Greg A., et al.
Published: (2025)

Simulation of the THF hydrate-water interfacial free energy from computer simulation
by: Torrejón, Miguel J., et al.
Published: (2024)

Thermodynamics of Hard Sphere and Spherocylinder Mixtures -- Scaled Particle Theory and Monte Carlo Simulations
by: Shmotolokha, Volodymyr, et al.
Published: (2025)

Molecular dynamics simulations of water-ethanol mixtures. I. Composition trends in thermodynamic properties
by: Bautista, D. Benavides, et al.
Published: (2024)

Equilibrium Adsorption of Hard Disks on Patterned Adhesive Surfaces: A Monte Carlo Simulation Study
by: Kukarkin, Nazar, et al.
Published: (2026)

Characterizing and modeling the mechanical behavior of an anion exchange membrane for carbon capture applications
by: Sarbaz, Sara, et al.
Published: (2025)

Phantom chain simulations for fracture of polymer networks created from star polymer mixtures of different functionalities
by: Masubuchi, Yuichi
Published: (2023)

Entropy of self-avoiding branching polymers: mean field theory and Monte Carlo simulations
by: Marcato, Davide, et al.
Published: (2025)

Primitive chain network simulations for double peaks in shear stress under fast flows of bidisperse entangled polymers
by: Masubuchi, Yuichi
Published: (2024)

II. Temperature trends in the properties of simple monohydric alcohols. Molecular dynamics simulations of united atom UAMI-EW model
by: Aguilar, M., et al.
Published: (2026)